| SpectraBase Compound ID | 5TKZZhdCs3L |
|---|---|
| InChI | InChI=1S/C31H46O7/c1-16-7-10-31(35-15-16)17(2)28-25(38-31)13-23-27-22(14-26(34)30(23,28)6)29(5)9-8-21(36-18(3)32)11-20(29)12-24(27)37-19(4)33/h16-17,20-25,27-28H,7-15H2,1-6H3/t16-,17+,20-,21+,22+,23+,24+,25+,27-,28+,29+,30-,31+/m1/s1 |
| InChIKey | ASLFFSSHHFZSEH-ADMYVSNVSA-N |
| Mol Weight | 530.7 g/mol |
| Molecular Formula | C31H46O7 |
| Exact Mass | 530.324354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ovkyIfS7UN |
|---|---|
| Name | (25R)-3-BETA,7-BETA-DIACETOXY-5-ALPHA-SPIROSTAN-12-ONE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O7 |
| InChI | InChI=1S/C31H46O7/c1-16-7-10-31(35-15-16)17(2)28-25(38-31)13-23-27-22(14-26(34)30(23,28)6)29(5)9-8-21(36-18(3)32)11-20(29)12-24(27)37-19(4)33/h16-17,20-25,27-28H,7-15H2,1-6H3/t16-,17+,20-,21+,22+,23+,24+,25+,27-,28+,29+,30-,31+/m1/s1 |
| InChIKey | ASLFFSSHHFZSEH-ADMYVSNVSA-N |
| Literature Reference Author | G.BLUNDEN,A.V.PATEL,T.A.CRABB |
| Literature Reference Citation | PHYTOCHEM.,29,1771(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85013-6 |
| Molecular Weight | 530.702 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU32151 |